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CAS 477859-76-0

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1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate

Description:
1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate, with the CAS number 477859-76-0, is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with a chlorine atom and a trifluoromethyl group. This compound features two ester functional groups, contributing to its reactivity and potential applications in organic synthesis. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The dimethyl groups on the propanedioate backbone can affect the compound's steric properties and solubility. As a pyridine derivative, it may exhibit various pharmacological properties, including potential use as an agrochemical or pharmaceutical intermediate. Safety and handling considerations are essential, as the chlorine and trifluoromethyl groups can impart toxicity and environmental concerns. Overall, this compound represents a unique structure with potential applications in various fields, including drug development and material science.
Formula:C11H9ClF3NO4
InChI:InChI=1S/C11H9ClF3NO4/c1-19-9(17)7(10(18)20-2)8-6(12)3-5(4-16-8)11(13,14)15/h3-4,7H,1-2H3
InChI key:InChIKey=HITBMJZLAOGWTA-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(C(OC)=O)C1=C(Cl)C=C(C(F)(F)F)C=N1
Synonyms:
  • Propanedioic acid, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, 1,3-dimethyl ester
  • Propanedioic acid, [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, dimethyl ester
  • 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
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